4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline

C62H60N2 — CID 167056660

IUPAC4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline
SMILESC=CC/C=C\C=C(/C)C1=CC=C(N(C2=CC=C(c3ccc(N(C4=CCC(c5ccccc5)C=C4)c4ccc(-c5ccccc5)cc4)cc3)CC2)C2CC=C(c3ccccc3)CC2)CC1
InChIInChI=1S/C62H60N2/c1-3-4-5-9-16-47(2)48-23-35-57(36-24-48)63(58-37-25-52(26-38-58)49-17-10-6-11-18-49)61-43-31-55(32-44-61)56-33-45-62(46-34-56)64(59-39-27-53(28-40-59)50-19-12-7-13-20-50)60-41-29-54(30-42-60)51-21-14-8-15-22-51/h3,5-23,25,27-29,31,33-35,39-43,45-46,54,58H,1,4,24,26,30,32,36-38,44H2,2H3/b9-5-,47-16+
InChIKeyFTDCHTNQPXKQHD-BETPIHHMSA-N
MW833.18 g/mol
LogP16.80
Rot. Bonds14

About 4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline

4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline (PubChem CID 167056660) has the molecular formula C62H60N2 and a molecular weight of 833.18 g/mol. Its IUPAC name is 4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline
PubChem CID167056660
Molecular FormulaC62H60N2
Molecular Weight833.18 g/mol
Exact Mass832.48
IUPAC Name4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline
SMILESC=CC/C=C\C=C(/C)C1=CC=C(N(C2=CC=C(c3ccc(N(C4=CCC(c5ccccc5)C=C4)c4ccc(-c5ccccc5)cc4)cc3)CC2)C2CC=C(c3ccccc3)CC2)CC1
InChIInChI=1S/C62H60N2/c1-3-4-5-9-16-47(2)48-23-35-57(36-24-48)63(58-37-25-52(26-38-58)49-17-10-6-11-18-49)61-43-31-55(32-44-61)56-33-45-62(46-34-56)64(59-39-27-53(28-40-59)50-19-12-7-13-20-50)60-41-29-54(30-42-60)51-21-14-8-15-22-51/h3,5-23,25,27-29,31,33-35,39-43,45-46,54,58H,1,4,24,26,30,32,36-38,44H2,2H3/b9-5-,47-16+
InChIKeyFTDCHTNQPXKQHD-BETPIHHMSA-N
XLogP16.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.18
LogP ≤ 516.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline (CID 167056660) is 4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline is C=CC/C=C\C=C(/C)C1=CC=C(N(C2=CC=C(c3ccc(N(C4=CCC(c5ccccc5)C=C4)c4ccc(-c5ccccc5)cc4)cc3)CC2)C2CC=C(c3ccccc3)CC2)CC1.
What is the InChIKey of 4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is FTDCHTNQPXKQHD-BETPIHHMSA-N. The full InChI is InChI=1S/C62H60N2/c1-3-4-5-9-16-47(2)48-23-35-57(36-24-48)63(58-37-25-52(26-38-58)49-17-10-6-11-18-49)61-43-31-55(32-44-61)56-33-45-62(46-34-56)64(59-39-27-53(28-40-59)50-19-12-7-13-20-50)60-41-29-54(30-42-60)51-21-14-8-15-22-51/h3,5-23,25,27-29,31,33-35,39-43,45-46,54,58H,1,4,24,26,30,32,36-38,44H2,2H3/b9-5-,47-16+.
What are the key properties of 4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline?
4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 833.18 g/mol, XLogP of 16.80, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167056660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).